3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole

C17H14BrFN2 — CID 169043656

IUPAC3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole
SMILESCc1cc(-c2cc(-c3ccc(F)cc3)ccc2Br)nn1C
InChIInChI=1S/C17H14BrFN2/c1-11-9-17(20-21(11)2)15-10-13(5-8-16(15)18)12-3-6-14(19)7-4-12/h3-10H,1-2H3
InChIKeyLAARYOTTWDTQOA-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.96
Rot. Bonds2

About 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole

3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole (PubChem CID 169043656) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole
PubChem CID169043656
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole
SMILESCc1cc(-c2cc(-c3ccc(F)cc3)ccc2Br)nn1C
InChIInChI=1S/C17H14BrFN2/c1-11-9-17(20-21(11)2)15-10-13(5-8-16(15)18)12-3-6-14(19)7-4-12/h3-10H,1-2H3
InChIKeyLAARYOTTWDTQOA-UHFFFAOYSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole?
The IUPAC name of 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole (CID 169043656) is 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole?
The canonical SMILES for 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole is Cc1cc(-c2cc(-c3ccc(F)cc3)ccc2Br)nn1C.
What is the InChIKey of 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole?
The InChIKey is LAARYOTTWDTQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-11-9-17(20-21(11)2)15-10-13(5-8-16(15)18)12-3-6-14(19)7-4-12/h3-10H,1-2H3.
What are the key properties of 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole?
3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole has a molecular weight of 345.22 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromo-5-(4-fluorophenyl)phenyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 169043656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).